beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate
TL;DR: beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate (CAS 63442-69-3) is a chemical compound with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate, Methyl-2,2-difluor-1-phenylvinylether, beta-Diethylaminoethyl alpha-p-chlorophenoxyisobutyrate, 2-(4-Chlorophenoxy)-2-methylpropanoic acid 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
| Molecular Formula | C16H24ClNO3 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 313.14447 |
| Heavy Atoms | 21 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 63442-69-3 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl |
| InChIKey | DRCMJIIVYYIUMC-UHFFFAOYSA-N |
Product Overview
beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate (CAS 63442-69-3), with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol. IUPAC: 2-(diethylamino)ethyl 2-(4-chlorophenoxy)-2-methylpropanoate.
Chemical Property Profile of beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate
Property Insights of beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate
The XLogP value of 3.8 indicates that beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate?
The CAS number of beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate is 63442-69-3.
What is the molecular formula of beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate?
The molecular formula of beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate is C16H24ClNO3.
What is the molecular weight of beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate?
The molecular weight of beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate is 313.14 g/mol.
Where can I buy beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate?
You can request a quote for beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate?
Yes, KEHONG BIO provides custom synthesis services for beta-Diethylaminoethyl alpha-4-chlorophenoxyisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.